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Refinement of 2‐Amino‐6‐(4‐methyl‐1‐piperazinyl)‐4‐(tricyclo[3.3.1.1 3,7 ]dec‐1‐yl)‐1,3,5‐triazine at Three Different Temperatures using Image‐Plate Data
Author(s) -
Perrakis A.,
Schneider T. R.,
AntoniadouVyzas E.,
Dauter Z.,
Hamodrakas S. J.
Publication year - 1996
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889896000180
Subject(s) - scanner , triazine , rotation (mathematics) , molecule , 1,3,5 triazine , chemistry , crystallography , image (mathematics) , materials science , stereochemistry , computational chemistry , physics , optics , organic chemistry , mathematics , computer science , geometry , artificial intelligence
The structure of 2‐amino‐6‐(4‐methyl‐1‐piperazinyl)‐4‐(tricyclo[3.3.1.1 3,7 ]dec‐1‐yl)‐1,3,5‐triazine was refined using data collected at three different temperatures [room temperature (293 K), 150 K and 85 K] with the use of an image‐plate scanner in an attempt to study the effect of temperature on the disorder of the adamantyl group. It is demonstrated that the data collected with the rotation method and an image‐plate scanner are of a high enough quality to be used for the refinement of small‐molecule structures.